ChemSpider 2D Image | 3,5,5-Trimethylhexyl acetate | C11H22O2

3,5,5-Trimethylhexyl acetate

  • Molecular FormulaC11H22O2
  • Average mass186.291 Da
  • Monoisotopic mass186.161987 Da
  • ChemSpider ID21428737

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Hexanol, 3,5,5-trimethyl-, acetate [ACD/Index Name]
3,5,5-Trimethylhexyl acetate [ACD/IUPAC Name]
3,5,5-Trimethylhexyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3,5,5-triméthylhexyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 193.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.9±3.0 kJ/mol
Flash Point: 71.7±9.7 °C
Index of Refraction: 1.425
Molar Refractivity: 54.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 252.96
ACD/KOC (pH 5.5): 1826.90
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 252.96
ACD/KOC (pH 7.4): 1826.90
Polar Surface Area: 26 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 26.8±3.0 dyne/cm
Molar Volume: 214.0±3.0 cm3

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